≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CNCC2=C1C=CC=C2C(=O)NC3=NC4=CC=CC=C4S3.Cl.Cl |
|---|---|
| IUPAC Name | N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide;dihydrochloride |
| InChIKey | NLIXVMTZVNNRQM-UHFFFAOYSA-N |
| INCHI | 1S/C17H15N3OS.2ClH/c21-16(12-5-3-4-11-8-9-18-10-13(11)12)20-17-19-14-6-1-2-7-15(14)22-17;;/h1-7,18H,8-10H2,(H,19,20,21);2*1H |
| Isomeric SMILES | C1CNCC2=C1C=CC=C2C(=O)NC3=NC4=CC=CC=C4S3.Cl.Cl |
| PubChem CID | 86644320 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | Benzothiazoles Aralkylamines Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroisoquinoline - 1,3-benzothiazole - Aralkylamine - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Molecular Weight | 382.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 381.047 Da |
| Monoisotopic Mass | 381.047 Da |
| Topological Polar Surface Area | 82.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
![N-(benzo[d]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide dihydrochloride - ≥97% , CAS No.1235034-72-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)